Building a ML-based QSAR model for predicting the bioactivity of therapeutically active drug class with imidazole scaffold

Building a ML-based QSAR model for predicting the bioactivity of therapeutically active drug class with imidazole scaffold

Human immunodeficiency virus, a retrovirus, causes AIDS, a chronic immune system disease. HIV interferes with the ability of our body to combat disease and infection by weakening our immune system. An essential enzyme necessary for HIV replication is reverse transcriptase (RT). RT inhibitors (RTIs)...

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Bibliographic Details
Main Authors: Komal Singh, Irina Ghosh, Venkatesan Jayaprakash, Sudeepan Jayapalan
Format: Article
Language:English
Published: Elsevier 2024-08-01
Series:European Journal of Medicinal Chemistry Reports
Subjects:
Reverse transcriptase
Imidazole
QSAR modelling
Machine learning
R2 value
Online Access:http://www.sciencedirect.com/science/article/pii/S2772417424000207

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http://www.sciencedirect.com/science/article/pii/S2772417424000207

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